[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid

C5H7F3O3S — CID 175078887

IUPAC[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid
SMILESO=S(=O)(O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3O3S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2,(H,9,10,11)
InChIKeyYUCMPPMRTZLSOK-UHFFFAOYSA-N
MW204.17 g/mol
LogP1.22
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid

[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid (PubChem CID 175078887) has the molecular formula C5H7F3O3S and a molecular weight of 204.17 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid
PubChem CID175078887
Molecular FormulaC5H7F3O3S
Molecular Weight204.17 g/mol
Exact Mass204.01
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid
SMILESO=S(=O)(O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3O3S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2,(H,9,10,11)
InChIKeyYUCMPPMRTZLSOK-UHFFFAOYSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)butane-1-sulfonic acid
CID 87155529
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butane-1-sulfonic acid
CID 87649800
2,2-Difluorocyclopropane-1-sulfonic acid
CID 117899716
[(1R)-2,2-difluoro-1-methylcyclopropyl]methanesulfonyl chloride
CID 124298489
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanesulfonyl chloride
CID 124298490
(2,2-Difluorocyclopropyl)methanesulfinic acid
CID 140533696
[1-(Difluoromethyl)cyclopropyl]methanesulfinic acid
CID 165449183
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
CID 165459368
[1-(Difluoromethyl)cyclopropyl]methanesulfonyl fluoride
CID 165459729

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid (CID 175078887) is [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid is O=S(=O)(O)CC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid?
The InChIKey is YUCMPPMRTZLSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2,(H,9,10,11).
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid?
[1-(trifluoromethyl)cyclopropyl]methanesulfonic acid has a molecular weight of 204.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanesulfonic acid is sourced from PubChem (CID 175078887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).